Abstract
We have investigated permeation and transport of hydrogen (H) isotopes in tungsten (W) single crystal employing first-principles calculations in junction with Fick’ law. Permeability was approximately evaluated according to the solubility and diffusion coefficient of H. The solubility for H in bulk W from present calculation is consistent with the experimental results measured by Frauenfelder. The permeation fluxes of H isotopes are examined at the different thickness of W wall. The permeation fluxes of deuterium with the W thickness of 21μm at the temperature of 770K and with the W thickness of 50μm at the temperature of 893K were 0.68×1013 atom/m2s and 0.34×1014 atom/m2s, respectively. The dissociation coefficients of H isotopes are also evaluated. We believe that the present first-principles combined with Fick’ law method can be also generalized to investigate permeation and transport of H isotopes in most metals since such H isotopes behaviors in most metals are similar to those of H isotopes in W.
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